Monte Carlo method based QSAR and docking studies of Pyrazoline and Benzoxazole derivatives as antitubercular agents
Author(s): Kalpana Devi, Monica Kachroo and Lokesh Pathak
Understanding the regioselectivite of the Baeyer-Villiger reaction of bicyclo[4.2.0]octan-7-one and bicyclo[3.2.0]heptan-6-one: A DFT Study
Author(s): M. El Idrissi, A. El Haib, M. Zoubir, R. Hammal, A. Zeroual andA. EL Hajbi
Ab initio 1H- and 13C-NMR Computational Study of Vorinostat: A Biologically Active Compound Against Cancer
Author(s): J. P. Ameji, Abdulla Moyosore, Jangber Z. Nicodemus, J. E. Oguche and Bamidele M. Omotola
Semi-empirical (PM3) Based Insillico Prediction of Acute Toxicity of Phenols
Author(s): Ibraheem Wasiu Aderemi, Jangber Zaphania Nicodemus, Ojilere Chileziemanya Juliet and Ezekiel Malgwi Anjili
Towards the Discovery of Novel Anti-cancer agents through Semi-empirical (PM3) Based QSAR Modelling of Histone Deacetylase Inhibitors
Author(s): Bamidele M. Omotola, Jimoh Abdullateef, Ojilere C. Juliet and Ibraheem A. Wasiu
Molecular Docking Study of 6-substituted 2-aminobenzothiazole derivatives as anticonvulsant agents
Author(s): Love Kumar Soni and Bhagat Singh Chouhan
Antibacterial activity and QSAR modeling of natural monoterpenes against plant pathogens
Author(s): Mohamed E. I. Badawy and Entsar I. Rabea
Molecular modelling studies of 2-substituted-3-benzyl-6-iodo quinazolin-4(3H)-one analogs targeting for breast cancer activity
Author(s): S. Rajasekaran and Zonunsiami
Computational Chemistry Calculation on Stavudine (D4T) and Its Derivatives Activity to predict a new compound with best drug potency
Author(s): Falah Shareef Abed Suhail
